SCHEMBL6491702

SCHEMBL6491702

Fc1ccc(F)c(CNc2ccc3[nH]c4ccccc4c3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
MAPT P10636 2/20 0.49
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
PLA2G1B P04054 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GLA P06280 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 3/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
NTRK1 P04629 7/20 0.43
KIF11 P52732 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MEN1 O00255 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6496788 0.84 GAA (0.46) GAAMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL6483228 0.81 MAPT (0.51) GAAMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL6495346 0.80 KDM4E (0.45) GAAMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL6492565 0.80 KMT2A (0.47) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL6528050 0.79 CYP1A2 (0.45) GAAMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL6492248 0.77 KMT2A (0.47) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL6497640 0.77 KMT2A (0.49) GAAMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL6493014 0.77 KMT2A (0.50) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL6493321 0.76 CYP2C19 (0.45) GAAMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL6485068 0.75 MAPT (0.56) GAAMAPTKDM4EALDH1A1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US claimed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US claimed
EP-1248777-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2002-10-16 EP claimed
WO-2001051479-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2001-07-19 WO claimed
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US disclosed
US-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 US disclosed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US disclosed
EP-1248777-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2002-10-16 EP disclosed
WO-2001051479-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2001-07-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus HDAC8, ZC3HAV1, ZCCHC8 GAA 1524/4885MAPT 2337/4885CYP1A2 649/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 GAA 1297/4885MAPT 3500/4885CYP1A2 2938/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.